Summary

IMPPAT Phytochemical identifier: IMPHY010736

Phytochemical name: Polygoacetophenoside

Synonymous chemical names:
polygoacetophenoside

Chemical structure information

SMILES:
OC[C@H]1O[C@@H](Oc2c(O)cc(c(c2O)C(=O)C)O)[C@@H]([C@@H]([C@@H]1O)O)O

InChI:
InChI=1S/C14H18O10/c1-4(16)8-5(17)2-6(18)13(10(8)20)24-14-12(22)11(21)9(19)7(3-15)23-14/h2,7,9,11-12,14-15,17-22H,3H2,1H3/t7-,9-,11-,12-,14+/m1/s1

InChIKey:
ZUWXQUMKYTWEHJ-XZXQKGGASA-N

DeepSMILES:
OC[C@H]O[C@@H]OccO)cccc6O))C=O)C)))O))))))[C@@H][C@@H][C@@H]6O))O))O

Functional groups:
CO, cC(C)=O, cO, cO[C@@H](C)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OC2CCCCO2)cc1

Scaffold Graph/Node level:
C1CCC(OC2CCCCO2)CC1

Scaffold Graph level:
C1CCC(CC2CCCCC2)CC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Acyl phloroglucinols

NP-Likeness score: 2.278

---

Chemical structure download